3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid

C15H20N2O4 — CID 62825581

IUPAC3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-17(10-11(2)15(20)21)13(18)9-16-14(19)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWRTFBTRDVVLONH-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.99
Rot. Bonds7

About 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid

3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62825581) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
PubChem CID62825581
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-17(10-11(2)15(20)21)13(18)9-16-14(19)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWRTFBTRDVVLONH-UHFFFAOYSA-N
XLogP0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
3-[ethyl(phenoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827922
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299
N-[1-[benzoyl(ethyl)amino]propan-2-yl]benzamide
CID 165355885
3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62854117
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid (CID 62825581) is 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is WRTFBTRDVVLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-17(10-11(2)15(20)21)13(18)9-16-14(19)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid?
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62825581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).